2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine

C13H11F3N2O — CID 55190335

IUPAC2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine
SMILESNc1cc(C2CC2)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-2-8-9(17)6-10(7-4-5-7)18-12(8)11/h1-3,6-7H,4-5H2,(H2,17,18)
InChIKeyOWBREVDBVNELBG-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.59
Rot. Bonds2

About 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine

2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine (PubChem CID 55190335) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine
PubChem CID55190335
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine
SMILESNc1cc(C2CC2)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-2-8-9(17)6-10(7-4-5-7)18-12(8)11/h1-3,6-7H,4-5H2,(H2,17,18)
InChIKeyOWBREVDBVNELBG-UHFFFAOYSA-N
XLogP3.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-6,8-difluoroquinolin-4-amine
CID 63357751
8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate
CID 26865230
2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine
CID 55188737
2-cyclopropyl-8-methoxy-N-methylquinolin-4-amine
CID 63357697
2-methyl-8-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203397
2-cyclopropyl-8-(difluoromethoxy)-N-methylquinolin-4-amine
CID 55188923
3,4-dibromo-2-methyl-8-(trifluoromethoxy)quinoline
CID 121236039
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
8-chloro-2-cyclopropyl-6-fluoroquinolin-4-amine
CID 63358243
3-bromo-7-(trifluoromethoxy)-2H-indazole
CID 133060231
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine?
The IUPAC name of 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine (CID 55190335) is 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine?
The canonical SMILES for 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine is Nc1cc(C2CC2)nc2c(OC(F)(F)F)cccc12.
What is the InChIKey of 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine?
The InChIKey is OWBREVDBVNELBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)19-11-3-1-2-8-9(17)6-10(7-4-5-7)18-12(8)11/h1-3,6-7H,4-5H2,(H2,17,18).
What are the key properties of 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine?
2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine has a molecular weight of 268.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(trifluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 55190335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).